Carebastine Methyl Ester

Base Information

• Chemical Name: Carebastine Methyl Ester
• CAS No.: 189064-48-0
• Molecular Formula: C33H39NO4
• Molecular Weight: 513.677
• DSSTox Substance ID: DTXSID60453679
• Wikidata: Q82274876
• Mol file: 189064-48-0.mol

Synonyms:Carebastine Methyl Ester;189064-48-0;methyl 2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoate;Benzeneacetic acid, 4-[4-[4-(diphenylmethoxy)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethyl-, methyl ester;SCHEMBL6101514;DTXSID60453679;AKOS030241670;FT-0664379;A809540;methyl 2-[4-[4-[4-(diphenylmethyl)oxypiperidin-1-yl]butanoyl]phenyl]-2-methyl-propanoate;2-[4-[4-[4-(diphenylmethyl)oxy-1-piperidinyl]-1-oxobutyl]phenyl]-2-methylpropanoic acid methyl ester

Chemical Property of Carebastine Methyl Ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 631.283°C at 760 mmHg
• Flash Point: 335.588°C
• PSA: 55.84000
• Density: 1.148g/cm³
• LogP: 6.30860
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 513.28790873
• Heavy Atom Count: 38
• Complexity: 705

Purity/Quality:

98%Min ^*data from raw suppliers

CarebastineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
• Uses: Intermediate for the synthesis of Carebastine

Technology Process of Carebastine Methyl Ester

There total 3 articles about Carebastine Methyl Ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.8%

4-diphenylmethoxy-1-[3-(4-bromobenzoyl)propyl]-piperidine (97928-45-5) + 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene (31469-15-5) → 4-[4-[4-(Hydroxydiphenylmethyl-)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid methyl ester (189064-48-0)

Guidance literature:

With zinc(II) fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 2h; Product distribution / selectivity;

Reference yield:

4-diphenylmethoxypiperidine (58258-01-8) + 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, methyl ester (154477-54-0) → 4-[4-[4-(Hydroxydiphenylmethyl-)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid methyl ester (189064-48-0)

Guidance literature:

With potassium hydrogencarbonate; potassium iodide; In water; toluene; for 72h; Heating / reflux;

Reference yield:

C20H29NO4 (158584-63-5) + diphenylchloromethane (90-99-3) → 4-[4-[4-(Hydroxydiphenylmethyl-)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid methyl ester (189064-48-0)

Guidance literature:

Product distribution / selectivity;

upstream raw materials:

4-diphenylmethoxypiperidine

2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, methyl ester

4-diphenylmethoxy-1-[3-(4-bromobenzoyl)propyl]-piperidine

1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

Refernces

• 1、 -. "Intermediates useful for the preparation of antihistaminic piperidine derivatives". Page column 98. . Retrieved 2008/06/13.